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Award Abstract #1337908

MRI: Acquisition of a Small Molecule Single Crystal X-ray Diffractometer for Research and Education Across Montana

NSF Org: CHE
Division Of Chemistry
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Initial Amendment Date: September 5, 2013
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Latest Amendment Date: September 5, 2013
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Award Number: 1337908
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Award Instrument: Standard Grant
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Program Manager: Carlos A. Murillo
CHE Division Of Chemistry
MPS Direct For Mathematical & Physical Scien
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Start Date: September 1, 2013
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End Date: August 31, 2016 (Estimated)
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Awarded Amount to Date: $265,000.00
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Investigator(s): Orion Berryman orion.berryman@umontana.edu (Principal Investigator)
Edward Rosenberg (Co-Principal Investigator)
Charles Thompson (Co-Principal Investigator)
Tom Livinghouse (Co-Principal Investigator)
Robert Szilagyi (Co-Principal Investigator)
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Sponsor: University of Montana
32 CAMPUS DRIVE MAIN HALL
Missoula, MT 59812-0001 (406)243-6670
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NSF Program(s): MAJOR RESEARCH INSTRUMENTATION,
CHEMICAL INSTRUMENTATION
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Program Reference Code(s): 1108, 1189, 1401, 1938, 1982, 6884, 8650, 9150
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Program Element Code(s): 1189, 1938

ABSTRACT

With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program, Professor Orion Berryman from the University of Montana and colleagues Tom Livingstone, Robert Szilagyi, Edward Rosenberg and Charles Thompson will acquire a single crystal X-ray diffractometer. The proposal is aimed at enhancing research and education at all levels, especially in areas such as (a) development of organocatalysts with halogen bonding; (b) solid-state structures of luminescent ruthenium diimine complexes; (c) development of molecular yardsticks to determine the spatial dimensions and key binding motifs of glutamate transporter proteins; (d) asymmetric catalysis of Group 3 metals and cationic cyclizations; (e) development of structure activity relationships for isoxazole containing drug candidates; and (f) electronic and geometric structures of metalloenzymatic and organometallic catalysts.

An X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here will impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument will be an integral part of teaching as well as research and research training and will contribute to educate students both at the University of Montana and Montana State University including those from a Native American background as well as high school students and those at a tribal college.


PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Gao, H.; Shreeve, J. M.. "The Many Faces of FOX-7: Precursor to High Performance Energetic Materials," Angewandte Chemie Int. Ed., v.54, 2015, p. 6335. 

Massena, C. J.; Riel, A. M. S.; Neuhaus, G. F.; Decato, D. A.; Berryman, O. B.*. "Solution and Solid-Phase Halogen and C-H Hydrogen Bonding to Perrhenate," Chemical Communications, v.51, 2015, p. 1417-1420.

Stierle, A.; Stierle, D.; Decato, D.. "Crystal structure and absolute configuration of preaustinoid A1," Acta Cryst. E71, 2015, p. o596.

Stierle, A.; Stierle, D.; Decato, D.. "Redetermination and absolute configuration of berkeleydione," Acta Cryst. E71, 2015, p. o248.

Wei, H.; Zhang, J.; Shreeve, He, C.; J. M.. "Energetic Salts Based on Furazan-Functionalized Tetrazoles: Routes to Boost Energy," Chemistry ? A European Journal, v.21, 2015, p. 8607.

Yin, P.; Parrish, D, A.; Shreeve, J. M.. "Energetic Multifunctionalized Nitraminopyrazoles and Their Ionic Derivatives: Ternary Hydrogen-Bond Induced High Energy Density Materials," Journal of the American Chemical Society, v.137, 2015, p. 4778. 

Zhang, J.; Parrish, D, A.; Shreeve, J. M.. "Curious Cases of 3,6-Dinitropyrazolo[4,3-c]pyrazole-based Energetic Cocrystals with High Nitrogen-content: An Alternative to Salt Formation," Chemical Communications, v.15, 2015, p. 7337. 

Zhang, J.; Shreeve, J. M.. "Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical and Energetic Properties," Journal of Physical Chemistry C, v.119, 2015, p. 12887. 

Tang, Y.; He, C.; Gao, H.; Shreeve, J. M.. "Energized nitroazoles through ether bridges," Journal of Materials Chemisty A, v.3, 2015, p. 15576. 

Zhang, J.; Parrish, D. A.; Shreeve, J. M.. "Curious Cases of 3,6-Dinitropyrazolo[4,3-c]pyrazole-based Energetic Cocrystals with High Nitrogen-content: An Alternative to Salt Formation," Chemical Communications, v.15, 2015, p. 7337. 


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